N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide

C20H21N3O4 — CID 86855433

IUPACN-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCOc1cc(CNC(=O)c2ccc(Cn3cccn3)cc2)cc(OC)c1O
InChIInChI=1S/C20H21N3O4/c1-26-17-10-15(11-18(27-2)19(17)24)12-21-20(25)16-6-4-14(5-7-16)13-23-9-3-8-22-23/h3-11,24H,12-13H2,1-2H3,(H,21,25)
InChIKeyCKQGZYZWFJMKED-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.58
Rot. Bonds7

About N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide

N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 86855433) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID86855433
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCOc1cc(CNC(=O)c2ccc(Cn3cccn3)cc2)cc(OC)c1O
InChIInChI=1S/C20H21N3O4/c1-26-17-10-15(11-18(27-2)19(17)24)12-21-20(25)16-6-4-14(5-7-16)13-23-9-3-8-22-23/h3-11,24H,12-13H2,1-2H3,(H,21,25)
InChIKeyCKQGZYZWFJMKED-UHFFFAOYSA-N
XLogP2.58
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 47019691
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
N-(4-chloro-2,5-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 26022355
N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18141970
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25404296
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954270
2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954518

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 86855433) is N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide is COc1cc(CNC(=O)c2ccc(Cn3cccn3)cc2)cc(OC)c1O.
What is the InChIKey of N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is CKQGZYZWFJMKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-26-17-10-15(11-18(27-2)19(17)24)12-21-20(25)16-6-4-14(5-7-16)13-23-9-3-8-22-23/h3-11,24H,12-13H2,1-2H3,(H,21,25).
What are the key properties of N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 367.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 86855433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).